SCHEMBL8592532

SCHEMBL8592532

O=C(NC(Cc1ccccc1)C(=O)O)c1cc(-c2ccc3ccccc3c2)nn1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.64
▸ MME P08473 5/20 0.48
▸ ACE P12821 3/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GCGR P47871 1/20 0.45
▸ GIPR P48546 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ TRHDE Q9UKU6 1/20 0.44
▸ FTO Q9C0B1 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8592530 1.00 PIN1 (0.64) PIN1MMEACECPA1ACE2
SCHEMBL8589911 0.82 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL8590389 0.81 SMN1; SMN2 (0.53) PIN1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8590055 0.79 MAPT (0.63) PIN1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL27706437 0.75 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL8591001 0.74 CACNA1G (0.55) PIN1MMEACECPA1ACE2
SCHEMBL8591003 0.74 CACNA1G (0.55) PIN1MMEACECPA1ACE2
SCHEMBL28978182 0.73 SMN1; SMN2 (0.51) PIN1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL28978186 0.73 SMN1; SMN2 (0.51) PIN1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL8592529 0.73 GCGR (0.40) PIN1MMEMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5635526-A POSSESSES ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM OR THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1997-06-03 — — US disclosed
US-5616592-A USEFUL FOR DISORDERS OF CARDIOVASCULAR, GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS SANOFI (FR) 1997-04-01 — — US disclosed
US-5607958-A NEUROTENSIN RECEPTOR BINDERS SANOFI (FR) 1997-03-04 — — US disclosed
US-5420141-A Capable of binding to neurotensin receptor SANOFI (FR) 1995-05-30 — — US disclosed
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